SCHEMBL24968709

SCHEMBL24968709

C=NNc1ccc(Nc2nnc(-c3ccc(OCC(=O)NC4CCCC4)cc3)[nH]2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24968782 0.98 KMT2A (0.43) KMT2AMEN1ADORA2AADORA2BROCK2
SCHEMBL21217525 0.79 ROCK2 (0.58) KMT2AMEN1ROCK2ROCK1
SCHEMBL22967060 0.77 ADORA2A (0.41) KMT2AMEN1ADORA2AADORA2BLMNA
SCHEMBL22966755 0.77 ROCK2 (0.59) KMT2AMEN1ROCK2ROCK1
SCHEMBL22967056 0.76 ADORA2A (0.39) KMT2AMEN1ADORA2AADORA2BROCK2
SCHEMBL21217523 0.75 ROCK2 (0.58) KMT2AMEN1ROCK2ROCK1HPGD
SCHEMBL18792356 0.73 ROCK2 (0.66) ROCK2ROCK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL18792298 0.71 ROCK2 (0.68) KMT2AMEN1ROCK2ROCK1SMN1; SMN2
SCHEMBL22966757 0.71 ROCK2 (0.54) KMT2AMEN1ROCK2ROCK1LMNA
SCHEMBL22966753 0.70 ROCK2 (0.50) KMT2AMEN1ROCK2ROCK1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA KMT2A 2289/4885MEN1 2942/4885ADORA2A 2401/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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